SCHEMBL31342880

SCHEMBL31342880

COc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.52
GPR119 Q8TDV5 10/20 0.48
GPBAR1 Q8TDU6 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31342921 1.00 CYP3A4 (0.52) CYP3A4GPR119GPBAR1MEN1KMT2A
SCHEMBL31342885 0.93 MEN1 (0.52) CYP3A4GPR119GPBAR1MEN1KMT2A
SCHEMBL31342829 0.88 GPR119 (0.43) CYP3A4GPR119GPBAR1MEN1KMT2A
SCHEMBL31343093 0.88 GPR119 (0.52) GPR119
SCHEMBL31343002 0.88 GPR119 (0.52) GPR119
SCHEMBL31342891 0.88 CYP3A4 (0.53) CYP3A4GPR119MEN1KMT2A
SCHEMBL31342935 0.87 CYP3A4 (0.60) CYP3A4GPBAR1MEN1KMT2A
SCHEMBL31342991 0.87 GPR119 (0.45) GPR119MEN1KMT2A
SCHEMBL31342989 0.86 GPR119 (0.44) CYP3A4GPR119MEN1KMT2A
SCHEMBL31342878 0.86 CYP3A4 (0.51) CYP3A4MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049495-A1 TERTIARY PYRIDYL AMINE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYLINATION GENENTECH, INC. (US) 2025-03-06 WO disclosed